2-{[5-(tert-butylamino)-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl](methyl)amino}-1-(4-methylpiperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(tert-butylamino)-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl](methyl)amino}-1-(4-methylpiperidin-1-yl)ethan-1-one
2-{[5-(tert-butylamino)-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl](methyl)amino}-1-(4-methylpiperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | F449-3932 |
| Compound Name: | 2-{[5-(tert-butylamino)-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl](methyl)amino}-1-(4-methylpiperidin-1-yl)ethan-1-one |
| Molecular Weight: | 458.6 |
| Molecular Formula: | C23 H31 F N6 O S |
| Smiles: | CC1CCN(CC1)C(CN(C)c1nn2c(c(c3cccc(c3)F)nc2s1)NC(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5069 |
| logD: | 4.5069 |
| logSw: | -4.2591 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.674 |
| InChI Key: | HKAUOPYXXCSCGR-UHFFFAOYSA-N |